(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide

C21H27NO2 — CID 8779154

IUPAC(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccccc1
InChIInChI=1S/C21H27NO2/c1-14(2)18-12-9-13-19(15(3)4)20(18)22-21(23)16(5)24-17-10-7-6-8-11-17/h6-16H,1-5H3,(H,22,23)/t16-/m0/s1
InChIKeyJEPIBWQYYMCFGR-INIZCTEOSA-N
MW325.45 g/mol
LogP5.34
Rot. Bonds6

About (2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide

(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide (PubChem CID 8779154) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
PubChem CID8779154
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccccc1
InChIInChI=1S/C21H27NO2/c1-14(2)18-12-9-13-19(15(3)4)20(18)22-21(23)16(5)24-17-10-7-6-8-11-17/h6-16H,1-5H3,(H,22,23)/t16-/m0/s1
InChIKeyJEPIBWQYYMCFGR-INIZCTEOSA-N
XLogP5.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4101668
2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 53266192
(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017144
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
(2S)-2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 7018110
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide
CID 51191193
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide
CID 7816896
N-methyl-2-phenoxypropanamide
CID 4626974
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide (CID 8779154) is (2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide is CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccccc1.
What is the InChIKey of (2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide?
The InChIKey is JEPIBWQYYMCFGR-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27NO2/c1-14(2)18-12-9-13-19(15(3)4)20(18)22-21(23)16(5)24-17-10-7-6-8-11-17/h6-16H,1-5H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide?
(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide has a molecular weight of 325.45 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 8779154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).